Ethanone, 1-(1-methylcyclopentyl)-

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  • Identifiers

    CAS number
    13388-93-7

    Molecular formula
    C8H14O

    SMILES
    CC(=O)C1(CCCC1)C

  • Odor profile

    Fragrance
    Herbal 64.49%
    Fruity 64.12%
    Mint 56.58%
    Ketonic 49.54%
    Camphoreous 48.63%
    Fresh 39.18%
    Woody 39.06%
    Earthy 27.39%
    Tobacco 26.19%
    Cooling 25.32%

     

    Flavor
    Fruity 68.1%
    Camphor 31.94%
    Woody 31.28%
    Sweet 29.04%
    Earthy 28.75%
    Herbal 27.19%
    Pungent 27.11%
    Minty 25.42%
    Fruit 23.77%
    Ethereal 23.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.67 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point

    • 50.36 ˚C est.

  • Synonyms

    • Ethanone, 1-(1-methylcyclopentyl)-
    • 13388-93-7
    • 1-(1-methylcyclopentyl)ethanone
    • 1-(1-Methyl-cyclopentyl)-ethanone
    • 1-(1-methylcyclopentyl)ethan-1-one
    • DTXSID40339700
    • 1-Methyl-1-acetylcyclopentan
    • SCHEMBL6865583
    • DTXCID40290781
    • NAA38893
    • AKOS017514455
    • CS-0234377
    • EN300-141318

  • Applications

    Ethanone, 1-(1-methylcyclopentyl)- (13388-93-7) is a bulky aliphatic ketone that serves primarily as a chemical intermediate. It is commonly employed as a building block in organic synthesis for pharmaceutical and agrochemical compounds; in fragrance and cosmetic chemistry it is evaluated as a precursor to aroma constituents; in polymers and coatings it can be used to introduce a cyclopentyl ketone motif into specialty materials; and in industrial manufacturing it may appear as a niche intermediate for various performance materials, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1155.5
    methanol 1425.55
    isopropanol 930.21
    water 9.36
    ethyl acetate 1092.9
    n-propanol 872.21
    acetone 898.7
    n-butanol 814.38
    acetonitrile 1211.84
    DMF 803.84
    toluene 538.99
    isobutanol 689.48
    1,4-dioxane 1755.53
    methyl acetate 867.17
    THF 1619.48
    2-butanone 790.58
    n-pentanol 528.96
    sec-butanol 727.36
    n-hexane 198.88
    ethylene glycol 194.88
    NMP 707.72
    cyclohexane 241.67
    DMSO 483.93
    n-butyl acetate 796.06
    n-octanol 384.47
    chloroform 3344.22
    n-propyl acetate 539.3
    acetic acid 959.77
    dichloromethane 2298.32
    cyclohexanone 1087.63
    propylene glycol 272.47
    isopropyl acetate 736.72
    DMAc 621.31
    2-ethoxyethanol 625.45
    isopentanol 756.45
    n-heptane 132.44
    ethyl formate 618.09
    1,2-dichloroethane 1123.71
    n-hexanol 751.95
    2-methoxyethanol 965.55
    isobutyl acetate 423.49
    tetrachloromethane 745.53
    n-pentyl acetate 516.07
    transcutol 2507.97
    n-heptanol 409.42
    ethylbenzene 327.05
    MIBK 547.56
    2-propoxyethanol 945.4
    tert-butanol 1053.5
    MTBE 966.61
    2-butoxyethanol 609.3
    propionic acid 717.05
    o-xylene 373.28
    formic acid 405.01
    diethyl ether 973.36
    m-xylene 400.07
    p-xylene 495.36
    chlorobenzene 807.38
    dimethyl carbonate 271.39
    n-octane 61.4
    formamide 509.21
    cyclopentanone 1057.63
    2-pentanone 678.75
    anisole 652.19
    cyclopentyl methyl ether 758.14
    gamma-butyrolactone 1206.63
    1-methoxy-2-propanol 755.97
    pyridine 1131.93
    3-pentanone 513.76
    furfural 1113.47
    n-dodecane 45.5
    diethylene glycol 582.96
    diisopropyl ether 413.12
    tert-amyl alcohol 778.88
    acetylacetone 762.97
    n-hexadecane 51.58
    acetophenone 510.9
    methyl propionate 605.62
    isopentyl acetate 729.11
    trichloroethylene 2034.04
    n-nonanol 342.4
    cyclohexanol 675.06
    benzyl alcohol 452.96
    2-ethylhexanol 455.08
    isooctanol 346.09
    dipropyl ether 539.37
    1,2-dichlorobenzene 735.83
    ethyl lactate 231.7
    propylene carbonate 746.99
    n-methylformamide 617.13
    2-pentanol 586.9
    n-pentane 177.51
    1-propoxy-2-propanol 687.99
    1-methoxy-2-propyl acetate 662.67
    2-(2-methoxypropoxy) propanol 532.57
    mesitylene 298.06
    ε-caprolactone 991.78
    p-cymene 249.7
    epichlorohydrin 1314.36
    1,1,1-trichloroethane 1564.53
    2-aminoethanol 475.01
    morpholine-4-carbaldehyde 1029.01
    sulfolane 906.18
    2,2,4-trimethylpentane 108.97
    2-methyltetrahydrofuran 1216.76
    n-hexyl acetate 711.83
    isooctane 105.89
    2-(2-butoxyethoxy)ethanol 739.74
    sec-butyl acetate 460.8
    tert-butyl acetate 741.96
    decalin 145.8
    glycerin 341.36
    diglyme 1218.99
    acrylic acid 567.73
    isopropyl myristate 270.83
    n-butyric acid 1027.85
    acetyl acetate 686.89
    di(2-ethylhexyl) phthalate 226.02
    ethyl propionate 488.41
    nitromethane 1243.63
    1,2-diethoxyethane 985.22
    benzonitrile 777.18
    trioctyl phosphate 157.09
    1-bromopropane 827.66
    gamma-valerolactone 1330.59
    n-decanol 239.36
    triethyl phosphate 224.26
    4-methyl-2-pentanol 411.88
    propionitrile 999.1
    vinylene carbonate 770.27
    1,1,2-trichlorotrifluoroethane 814.41
    DMS 482.6
    cumene 268.03
    2-octanol 282.37
    2-hexanone 553.62
    octyl acetate 321.76
    limonene 325.64
    1,2-dimethoxyethane 1021.82
    ethyl orthosilicate 242.77
    tributyl phosphate 223.54
    diacetone alcohol 600.55
    N,N-dimethylaniline 400.07
    acrylonitrile 1023.51
    aniline 673.82
    1,3-propanediol 634.22
    bromobenzene 843.45
    dibromomethane 1519.11
    1,1,2,2-tetrachloroethane 1660.19
    2-methyl-cyclohexyl acetate 421.51
    tetrabutyl urea 230.78
    diisobutyl methanol 292.68
    2-phenylethanol 543.56
    styrene 401.58
    dioctyl adipate 322.63
    dimethyl sulfate 322.91
    ethyl butyrate 533.79
    methyl lactate 273.75
    butyl lactate 336.01
    diethyl carbonate 358.68
    propanediol butyl ether 485.22
    triethyl orthoformate 394.35
    p-tert-butyltoluene 257.65
    methyl 4-tert-butylbenzoate 460.0
    morpholine 1549.86
    tert-butylamine 840.65
    n-dodecanol 176.04
    dimethoxymethane 625.66
    ethylene carbonate 675.93
    cyrene 344.66
    2-ethoxyethyl acetate 643.95
    2-ethylhexyl acetate 560.45
    1,2,4-trichlorobenzene 785.9
    4-methylpyridine 1042.44
    dibutyl ether 495.03
    2,6-dimethyl-4-heptanol 292.68
    DEF 645.8
    dimethyl isosorbide 759.16
    tetrachloroethylene 1271.65
    eugenol 427.88
    triacetin 533.34
    span 80 445.92
    1,4-butanediol 245.6
    1,1-dichloroethane 1515.64
    2-methyl-1-pentanol 521.0
    methyl formate 434.34
    2-methyl-1-butanol 655.17
    n-decane 83.82
    butyronitrile 931.72
    3,7-dimethyl-1-octanol 411.05
    1-chlorooctane 276.63
    1-chlorotetradecane 109.48
    n-nonane 82.19
    undecane 58.93
    tert-butylcyclohexane 153.69
    cyclooctane 92.3
    cyclopentanol 645.71
    tetrahydropyran 1269.64
    tert-amyl methyl ether 598.08
    2,5,8-trioxanonane 757.88
    1-hexene 476.25
    2-isopropoxyethanol 521.01
    2,2,2-trifluoroethanol 398.1
    methyl butyrate 582.21

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction